Time resolved spectroscopy of 21st century materials

这个项目是一个物理化学项目，将涉及先进的计算和光谱技术的发展，为新的世纪材料的调查。我们将专注于使用国家的最先进的，时间分辨，瞬态吸收和发射光谱，询问一系列的化合物bothorganic和无机化合物的潜在工业相关性。在第一个例子中，我们将研究一系列基于喹啉的铱配合物的电子物理性质，这些配合物是非常有用的可熄灭磷光体。我们将使用实验和计算化学技术来帮助理解这些复合物的电子特性，例如检查相对于配体设计和结合基序的吸收和发射带的位置和强度，以及自旋轨道耦合矩阵元素的大小如何改变发射特性。然后，我们试图使用这种结构活性信息，以告知其高三重态-三重态湮灭上转换效率合成的无机复合物的合理设计，以及我们如何最大限度地提高上转换过程中涉及的电子能量转移。

This project is a physical chemistry project that will involve the development of advanced computational andspectroscopic techniques for the investigation of novel 21st century materials. We will focus on the use of state-ofthe-art, time resolved, transient absorption and emission spectroscopy to interrogate a range of compounds bothorganic and inorganic compounds of potential industrial relevance. In the first instance, we will investigate thephotophysical properties of a range of quinoxalene based iridium complexes, which are remarkably useful astunable phosphors. We will use both experimental and computational chemistry techniques to assist in theunderstanding of the electronic character of these complexes, for example examining the position and intensity ofabsorption and emission bands relative to the ligand design and binding motifs, and how the magnitude of the spinorbit coupling matrix elements alter the emissive properties. We then seek to use this structure-activity informationto inform upon the rational design of inorganic complexes synthesized for their high triplet-triplet annihilationupconversion efficiencies, and how we might maximise the electron energy transfers involved in the upconversionprocess.